EASY-ROESY

EASY-ROESY

For medium sized molecules (MW around 1000 g/mol) it happens quite often that no or very little NOE is observable due to the sign change of the NOE. In these cases ROESY is the well-known solution. When distances shall be obtained from ROE spectra one usually has to take care that no TOCSY artifacts impede the extraction and a correction for off-resonance effects has to be done. The remedy for these problems is the so called jump-symmetrized ROESY, which we implemented using adiabatic spin-locks now being called EASY-ROESY.

This method is not only the method of choice if distances shall be obtained for medium-sized molecules, but also if exchange rated in chemical reaction cannot be distinguished from NOE due to negative NOE (see projects on dynamics).

Publications

1 C. M. Thiele, K. Petzold, J. Schleucher, EASY ROESY: Reliable Cross-Peak Integration in Adiabatic Symmetrized ROESY, Chem. Eur. J. 2009, 15, 585-588.